PRELIMINARY PROGRAM

NONSTOICHIOMETRIC CERAMICS
AND INTERMETALLICS

April 26 - May 1, 1998
Kona, Hawaii

Chair
Jules Routbort
Argonne National Laboratory

Co-Chairs
Rüdiger Dieckmann
Cornell University

Thomas Mason
Northwestern University

Engineering Foundation Conferences
345 East 47th Street, Suite 303
New York, NY 10017
T: 1-212-705-7836 F: 1-212-705-7441
E-mail: engfnd@aol.com WWW: http://www.engfnd.org

Sunday, 26 April 1998

15:00-18:00 Registration

17:00-18:00 Meeting of Organizing Committee, Advisory Committee, Session Chairs, and Keynote Speakers

18:00-20:00 Welcome Dinner

20:00-21:00 Reception
General Greeting by the Conference Organization Committee

Monday, 27 April 1998

7:00-8:15 BREAKFAST

8:30-8:40 Welcome
J. L. Routbort for Organizing Committee
H. Bieber for Engineering Foundation

Theory, Ceramics
Chair: A. Cormack

8:40–9:30 Keynote:
Atomistic computer simulation of point and planar defects in oxide ceramics
R. Grimes
Imperial College, London, UK

9:30–9:55 Nature and high–temperature behavior of amorphous intergranular films in covalent ceramics by molecular dynamics simulation
P. Keblinski, D. Wolf, S. Phillpot, and H. Gleiter
Argonne National Laboratory, Argonne, Illinois, USA

9:55-10:20 Ion-exchanged cation site distribution in b–alumina
Y. Wang and A. N. Cormack
Alfred University, Alfred, New York, USA

10:20-10:40 Cluster variation method and Monte Carlo simulations. Some applications to thermodynamics of nonstoichiometric oxides and alloys
R. Tétot, V. Pagot, C. Giaconia, and A. Finel
Université Paris-Sud, Orsay, France

*coffee will be served in the back of the meeting room at 10:00

Theory, Intermetallics
Chair: H. Bakker

11:00-11:50 Keynote:
Dynamics of coherent phase transformation in nonstoichiometric systems
A. Khachaturyan, S. Semenovskaya, and Y. Le Bouar
Rutgers University, New Jersey, USA

11:50-12:15 Estimates of the enthalpies for defect formation, disordering, and phase transformation in intermetallic compounds
H. Bakker and I.W. Modder
University of Amsterdam, Netherlands

12:15-12:40 Effect of Light Element Additions to the Bond Strength in Ti5Si3Zx
(Z=B, C, N, O)
M. Akinc, J.D. Corbet, Y.Y.Ye, K. M. Ho, M.J. Kramer, A. Thom, and J.J. Williams
Iowa State University and Ames National Laboratory, Ames, Iowa

12:40-13:00 Kinetic theory of impurity diffusion in ordered alloys and intermetallic compounds of the B2 and L12 types
I. V. Belova and G. E. Murch
University of Newcastle, Australia

13:00 - 14:30 LUNCH

14:30 - 17:30 Ad hoc Discussions / Free Time

18:00 - 19:30 DINNER

19:30 – 22:30 Poster Session
Chairs: Professor Dr. Pale Ale, Microbrew, Hawaii and Rüdiger Dieckmann

Poster presenters are invited to give a very short summary (limited to 2 minutes) of the highlights of their poster beginning at 7:30.

Nonstoichiometry effects in high–temperature creep of(La,Sr)MnO3
R. Cook, J. Wolfenstine, K.C. Goretta, and J.L. Routbort
Argonne National Laboratory, Argonne, Illinois, USA

Defect–defect interactions in superionic conductors: a classical molecular dynamics study
F. Zimmer, P. Ballone, J. Maier, M. Parrinello
Max-Planck-Institute, Stuttgart, Germany

A model for chemical transport through boundaries in nonstoichiometric compounds
J. Jamnik and J. Maier
Max-Planck-Institute, Stuttgart, Germany

Thermodynamics of YBa2Cu3Ox theoretical aspects
R. Tétot, V. Pagnot, and C. Giaconia
Université Paris-Sud, Orsay, France

Oxygen interaction of Y2O3–stabilized ZrO2 studied by EPR and optical absorption
K. Sasdaki, M. Haseidl, and J. Maier
Max-Planck-Institute, Stuttgart, Germany

Spatially resolved measurement of nonstoichiometry profiles in SrTiO3
S. Rodewald, I. Denk, J. Fleig, and J. Maier
Max-Planck-Institute, Stuttgart, Germany

Variation of the oxygen content in single–and polycrystalline Cu2O and Fe3O4
R. Dieckmann
Cornell University, Ithaca, New York, USA

Defect structure and oxygen nonstoichiometry of the copper–substituted lanthanum manganates
A. N. Petrov, I.L. Tikhonova, and A. Yu. Zuez
Ural State University, Ekaterinburg, Russia

Fabrication of Nonstoichiometric CuO by Shock Compression
B. A. Gizhevskii, S. V. Naumov, E. A. Kozlov, V. P. Pilugin, A. A. Samokhvalov, G. N. Tatarinova,
B.V. Litvinov, M. V. Degtyarev, L. M. Voronova, D. A. Zatsepin, V. R. Galakhov, and V. V. Fedorenko
Ural Division of Russian Academy of Sciences, Ekaterinburg, Russia

Nonstoichiometric defects and properties of HfCO2 Laves phase intermetallics
K. C. Chen, E. J. Peterson, F. Chu, J. D. Thompson, W. L. Hults, and D. J. Thoma
Los Alamos National Laboratory, Los Alamos, New Mexico, USA

Alloying Effects on the defect structure, physical properties and mechanical behavior of the HfV2–based Laves phase
F. Chu, P. G. Kotula, T. E. Mitchell, D. P. Pope, and D. J. Thoma
Los Alamos National Laboratory, Los Alamos, New Mexico, USA

Energetics of ionic conductors in ZrO2–Y2O3 and ZrO2–CaO systems by high-temperature solution calorimetry
I. Modosetsky and A. Navrotsky
Princeton University, Princeton, New Jersey, USA

Structural studies of nonstoichiometric perovskite, pyrochlore and ttb–related phases in alkaline earth niobates and tantalates
R. S. Roth
Victor Idaho Phase Equilibria Research Group, Idaho, USA

The microstructure and magnetic properties of (Tb, Dy)(Fe, M)1.95 alloys
G Youhui, Z. Jinghan, W. Yuqing
Central Iron and Steel Research Institute, Beijing, China

Nonstoichiometric La1-xNiO3+d catalysts produced by combustion synthesis
D. A. Fumo, M. T. Colomer, J. R. Jurado, and A. M. Segadaes
Univeristy of Aveiro, Portugal

Oxygen Nonstoichiometry of La1-xCaxCoO3-y
V. A. Cherepanov, L.Y. Gavrilova, and O. A. Bukchner
Ural State University, Ekaterinburg, Russia

Isotope effect in phase transition of PbTiO3 and electrical conductivity of Li2O
T. Matsui, T. Nagasaki, Y. Arita, and H. Shigematsu
Nagoya University, Nagoya, Japan

Transient Creep of YBa2Cu3Ox
M. Jiménez-Melendo, A. Dominguez-Rodríguez, and J. L. Routbort
University of Sevilla, Sevilla, Spain

Synthesis of grain boundary decorated SrTiO3 ceramics and characterization of the space charge layers
U. Weber, L. Loo, R. Hagenbeck, and R. Waser
RWTH Aachen, Germany

Nonstoichiometry of (Mg, Mn, Fe)3-dO4 spinel ferrite
Sun-Ho Kang
Seoul National University, Seoul, Korea

Electrical and thermal properties of La0.2Sr0.8Cu0.1Fe0.9O3-d
I. Kaus and H. U. Anderson
University of Missouri, Rolla, Missouri, USA

Oxygen diffusion and surface exchange kinetics in YBa2Cu3O6+x
J. Claus, and G. Borchardt
Technische Universität Clausthal, Clausthal-Zellerfield, Germany

Transport processes in multi-component oxides in chemical and electrical potential gradients
G. Petot-Ervas, A. Rizea, M. Filal, and C. Petot
Ecole Centrale de Paris, Chåtenay-Malabry, France

Effects of A/B cation stoichimetry on sintering and phase transitions in ABO3 Perovskites
L. A. Chick, J. W. Stevenson, and T. R. Armstrong, Pacific Northwest National Laboratory
Richland, Washington, USA

*coffee will be served in the back of the room at 21:00

Tuesday, 28 April 1998

7:00-8:15 BREAKFAST

Defects, Ceramics
Chair: D. Smyth

8:30–9:20 Keynote:
Defects, diffusion and electrotransport in nonstoichiometric oxides
M. Martin
TU Darmstadt, Darmstadt, Germany

9:20-9:55 Issues in the defect chemistry of FexMg1-xSiO3 perovskite in the deep earth
A. Navrotsky
University of California, Davis, California, USA

9:55-10:20 Spectroscopic in-situ studies of defect–related processes in nonstoichiometric oxides
K. D. Becker
Technischen Universität Braunschweig, Braunschweig, Germany

10:20-10:45 Crystal and defect structure in nonstoichiometric mixed oxides La0.7Sr0.3Co1-zMnzO3+y (0³z>1.0)
A. N. Petrov, P. Kofstadt, and V.I. Voronin
Ural State University, Ekaterinburg, Russia

11:10-11:30 Nonstoichiometry of Ni1-d O at 1200°C
I. Rom and W. Sitte
Technische Universität Graz, Austria

11:30-11:55 Nonstoichiometry in doped and undoped Bi–layer ferroelectrics
A. C. Palanduz and D. M. Smyth
Lehigh University, Bethlehem, Pennsylvania

11:55-12:20 EXAFS study on defect structures of doped fluorite, pyrochlore and perovskite oxides
T. Matsui, Y. Arita, H. Shigematsu, and T. Nagasaki
Nagoya University, Nagoya, Japan

12:20-12:40 Near edge and EXAFS study of point defects in uperconducting La2xCaxCuO4-y
J. Okasinski, J.–H. Hwang, P. Geoprgopoulos, T. O. Mason, and J. B. Cohen Northwestern University, Evanston, Illinois, USA

12:40-13:00 Behavior of Multi-component oxides under a temperature gradient or during cooling
D. Monceau, C. Petot, G. Petot-Ervas
Ecole Centrale de Paris, Chåtenay-Malabry, France

13:00 - 14:30 LUNCH

*coffee will be served in the back of the room at 10:00 a.m.

14:30-17:30 Ad hoc Discussions / Free Time

18:00-19:30 DINNER

Defects, Intermetallics
Chair: J. Mundy

19:30-20:20 Keynote: Induced nonstoichiometry in intermetallics
R. Cahn
Cambridge University, Cambridge, UK

20:20-20:40 Application of mechanical spectroscopy to ceramics and intermetallics
M. Weller
Max-Planck-Institute, Stuttgart, Germany

20:40-21:00 Elastic and anelastic behavior of a nonstoichiometric intermetallic iron– aluminide
W. Hermann, T. Ort, and H.–G. Sockel
Universität Erlangen–Nürnberg, Germany

21:00-21:20 Mechanical spectroscopy in the investigation of the mechanical behaviour of Ni–Al intermetallic compounds
E. Bonetti, and E. G. Campari
University of Bologna, Bologna, Italy

21:20-21:40 Constitutional defects in Laves phase intermetallics
D. J. Thoma, F. Chu, K. C. Chen, and P. G. Kotula
Los Alamos National Laboratory, Los Alamos, New Mexico, USA

21:40-22:00 Diffuse X-ray scattering studies on defect structure in ion–irradiated Ni–base alloys
H. Yuya, T. Matsui, H. Maeta
Nagoya University, Nagoya, Japan

22:00-22:20 Effects of thermal vacancies and deviations from stoichiometry on the yield strength anomaly of FeAl
E. P. George and I. Baker
Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA

*coffee will be served in the back of the room at 21:00

Wednesday, 29 April 1998

Transport, Ceramics
Chair: J. Maier

8:30-9:20 Keynote: Charge transport and chemical diffusion in nonstoichiometric compounds
J. Mizusaki
Tohoku University, Japan

9:20-9:45 Nonstoichiometic complex perovskites as high–temperature protonic conductors
A.S. Nowick, K.C. Liang, and Yang Du
Columbia University, New York, USA

9:45-10:10 Thermodynamics and kinetics of protonic defects in perovskite–type oxides
K. D. Kreuer
Max-Planck-Institute, Stuttgart, Germany

10:10-10:30 Electronic transport properties in SrFeCo0.5Ox
J.–H. Park, B. Ma, and U. Balchandran
Argonne National Laboratory, Argonne, Illinois, USA

10:50-11:10 The kinetics of oxygen and hydrogen stoichiometry changes in SrTiO3
H.-J. Schlüter, M. Leonhard, J. Claus, and J. Maier
Max-Planck-Institute, Stuttgart, Germany

11:10-11:30 Point defects and cation tracer diffusion in magnetite–based spinels
Rüdiger Dieckmann
Cornell University, Ithaca, New York, USA

11:30-11:55 Mean effective charge of mobile cations in Fe3-dO4=8/3?
H.–I. Yoo, J.–O Hong, and K.–C. Lee
Seoul National University, Seoul, Korea

11:55-12:15 The mechanism of zirconium tracer diffusion in yttria stabilized zirconia
M. Kilo, Gl. Borchardt, S. Weber, and S. Scherrer
Technische Universität Clausthal, Clausthal-Zellerfield, Germany

12:15-12:35 The role of nonstoichilometry in controlling mixed ionic and electronic conductivity in transition metal doped pyrochlore oxides
J. Sprague, O. Porat, M.A. Spears, and H. L. Tuller
MIT, Cambridge, Massachusetts, USA

12:35-13:00 Influence of gas flow rate upon measurements of the oxygen flux for ceramic membranes
W. T. Stephens, T. J. Mazanec, M. K. Kne
BP Chemicals, Cleveland, Ohio, USA;
H. U. Anderson
University of Missouri, Rolla, Missouri, USA

*coffee will be served in the back of the room at 10:00

13:00 - 14:30 LUNCH

14:30-17:30 Ad hoc Discussions / Free Time

18:00-19:30 DINNER

Transport, Intermetallics
Chair: R. W. Cahn

19:30–20:20 Keynote:
Mechanisms of diffusion in intermetallic compounds
M. Koiwa
Kyoto University, Kyoto, Japan

20:20-20:50 Reaction kinetics in lanthanide – beryllium systems, effects of atomic size and nonstoichiometry on diffusion mechanism in LaBe13 type intermetallics
R J. Hanrahan, Jr., D. J. Thoma, and L. A. Jacobson
Los Alamos National Laboratory, Los Alamos, New Mexico, USA

20:50-21:20 The Darken/Manning relation between tracer and interdiffusion coefficients in ordered alloys and intermetallic compounds
I. V. Belova and G. E. Murch
University of Newcastle, Australia

21:20-21:50 Process of intermetallic formation in solid solutions
V. Koretsky, and Y. Ustinovshikov
Physical–Technical Institute, Izhevsk, Russia

*coffee will be served in the back of the room at 21:00

Thursday, 30 April 1998

7:00-8:15 BREAKFAST

Interfaces/Boundaries, Ceramics
Chair: H. Yoo

8:30-9:20 Keynote: Interfacial effects in micro- and nanocrystalline ceramics
J. Maier
Max-Planck-Institute, Stuttgart, Germany

9:20-9:50 Electrical properties and point defects in nanoceramics
J.–H. Hwang and T. O. Mason
Northwestern University, Evanston, Illinois, USA

9:50-10:20 Characterization of the microstructure of SrTiO3–based material for oxygen sensors using electron microscopy
P. I. Gouma and M. J. Mills
The Ohio State University, Columbus, Ohio, USA

10:40-11:20 Structure of yttria-stabilized cubic zirconia thin films grown by MOCVD
K. L. Merkle, L. J. Thompson, G.–R. Bai, Z. Li, and C.–Y. Song
Argonne National Laboratory, Argonne, Illinois, USA

11:20-11:50 Influence of oxygen activity on high temperature creep and oxygen diffusion in Fe3O4
J. Castaing, F. Millot, and A. Dominguez-Rodriguez
Universidad de Sevilla, Sevilla, Spain

11:50-12:20 Plastic deformation, dislocation and nonstoichiometry in melt–textured grown YBa2Cu3O7–d
J. Rabier, L. Richard, M. F. Denanot, F. Sandiumenge, and N. Vilalta
Université Poitiers, France

13:00-14:30 LUNCH

14:30-17:30 Ad hoc Discussions / Free Time

18:30- LUAU
Master of Ceremonies: Tom Mason
Speaker: A. S. Nowick
Columbia University, New York, USA

Friday, 1 May 1998

7:00-8:15 BREAKFAST

Interfaces/Boundaries, Intermetallics
Chair: T.O. Mason

9:009:50 Keynote:
Thermodynamics of point defects in intermetallic compounds with the B2 Structure and their effect of materials properties
A. Chang
University of Wisconsin, Madison

9:50-10:20 Antiphase boundary energy of nonstoichiometric intermetallic Ni3Al
S. Paru, L. Q. Zi, and C. B. Jiang
Academic Sinica, Shenyang, China

10:40-11:20 Magnetic Properties of Nanocomposite Nd2Fe14B/Fe3B alloys
Zhu Jinghan, and G. Youhuri
Central Iron & Steel Research Institute, Beijing, China

11:20-11:50 Origin of the saw-tooth morphology in decomposing alloys
Y. Le Bouar, A. Loiseau, and A. G. Khachaturyan,
Lab. de Physique du Solide, ONERA, France

Discussion of conference, direction of field, future plans.
Chairs summaries of their sessions are due to Rüdiger Dieckmann

12:15-13:15 Lunch (Boxed lunches will be available for those who sign up early in the week)

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